Name: (RS)-butoxy-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-acetic acid ethyl ester
SMILES:
CCCCOC(C(=O)OCC)c1ccc2c(c1)C(C)(C)CCC2(C)CMolecular Processing
Molecular formula
C22H34O3
Molecular weight
346.51
Exact mass
346.2508
XLogP
5.46
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
101.96
Supplementary Information
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